2,3-dimethylpyrazine | SBID = 1073 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 25.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 89.7 | ||
| Sum Formula: | C6H8N2 | ||
| M / g/mol: | 108.14 | ||
| Complexity: | 62.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 2,3-dimethylpyrazine
- Preferred Abbreviation: 2,3-Dimethylpyrazine
- IUPAC Name: 2,3-dimethylpyrazine
- CAS: 5910-89-4
- CID: 22201
- InChiKey: OXQOBQJCDNLAPO-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
- CanoSmiles: CC1=NC=CN=C1C
- IsoSmiles: CC1=NC=CN=C1C
